(7S)-7-methyl-3-[2-(4-methyl-3-pyridinyl)-2-oxoethyl]-5-[3-methyl-4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C23H21F3N4O2 — CID 157464013

IUPAC(7S)-7-methyl-3-[2-(4-methyl-3-pyridinyl)-2-oxoethyl]-5-[3-methyl-4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccncc1C(=O)Cc1cnn2c1C(=O)N(c1ccc(C(F)(F)F)c(C)c1)C[C@@H]2C
InChIInChI=1S/C23H21F3N4O2/c1-13-6-7-27-11-18(13)20(31)9-16-10-28-30-15(3)12-29(22(32)21(16)30)17-4-5-19(14(2)8-17)23(24,25)26/h4-8,10-11,15H,9,12H2,1-3H3/t15-/m0/s1
InChIKeyHBCDGKKLJGZZAT-HNNXBMFYSA-N
MW442.44 g/mol
LogP4.56
Rot. Bonds4

About (7S)-7-methyl-3-[2-(4-methyl-3-pyridinyl)-2-oxoethyl]-5-[3-methyl-4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

(7S)-7-methyl-3-[2-(4-methyl-3-pyridinyl)-2-oxoethyl]-5-[3-methyl-4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 157464013) has the molecular formula C23H21F3N4O2 and a molecular weight of 442.44 g/mol. Its IUPAC name is (7S)-7-methyl-3-[2-(4-methyl-3-pyridinyl)-2-oxoethyl]-5-[3-methyl-4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name(7S)-7-methyl-3-[2-(4-methyl-3-pyridinyl)-2-oxoethyl]-5-[3-methyl-4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID157464013
Molecular FormulaC23H21F3N4O2
Molecular Weight442.44 g/mol
Exact Mass442.16
IUPAC Name(7S)-7-methyl-3-[2-(4-methyl-3-pyridinyl)-2-oxoethyl]-5-[3-methyl-4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccncc1C(=O)Cc1cnn2c1C(=O)N(c1ccc(C(F)(F)F)c(C)c1)C[C@@H]2C
InChIInChI=1S/C23H21F3N4O2/c1-13-6-7-27-11-18(13)20(31)9-16-10-28-30-15(3)12-29(22(32)21(16)30)17-4-5-19(14(2)8-17)23(24,25)26/h4-8,10-11,15H,9,12H2,1-3H3/t15-/m0/s1
InChIKeyHBCDGKKLJGZZAT-HNNXBMFYSA-N
XLogP4.56
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.44
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (7S)-7-methyl-3-[2-(4-methyl-3-pyridinyl)-2-oxoethyl]-5-[3-methyl-4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7S)-3-[2-(5-fluoro-3-pyridinyl)-2-oxoethyl]-7-methyl-5-[3-methyl-4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;sulfane
CID 159136180
(7S)-3-iodo-7-methyl-5-[3-methyl-4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;sulfane
CID 158279765
5-[3-(fluoromethyl)-4-(trifluoromethyl)phenyl]-3,7-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 145008195
N-(5-fluoro-2-pyridinyl)-7-methyl-5-[3-methyl-4-(trifluoromethyl)phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 140801502
(7S)-3-[2-(2-amino-3-pyridinyl)-2-oxoethyl]-5-(4-chloro-3-methylphenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;sulfane
CID 159215302
(7S)-5-[3-(methoxymethyl)-4-(trifluoromethyl)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylic acid
CID 118700930
(7S)-7-methyl-5-(4-methylphenyl)-3-(2-oxo-2-pyridin-3-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 159913989
tert-butyl N-[5-[2-[(7S)-5-[3-chloro-4-(trifluoromethyl)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]acetyl]-2-pyridinyl]carbamate
CID 160791769
5-[3-methoxy-4-(trifluoromethyl)phenyl]-3,7-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 145008242
(7S)-5-(4-chlorophenyl)-3-[2-(2,6-dimethyl-4-pyridinyl)-2-oxoethyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 161017507
(7S)-7-methyl-N-(4-methyl-3-pyridinyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide;sulfane
CID 159328172
(7S)-3-[2-(6-amino-3-pyridinyl)-2-oxoethyl]-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 157410456

Frequently Asked Questions

What is the IUPAC name of (7S)-7-methyl-3-[2-(4-methyl-3-pyridinyl)-2-oxoethyl]-5-[3-methyl-4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of (7S)-7-methyl-3-[2-(4-methyl-3-pyridinyl)-2-oxoethyl]-5-[3-methyl-4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 157464013) is (7S)-7-methyl-3-[2-(4-methyl-3-pyridinyl)-2-oxoethyl]-5-[3-methyl-4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for (7S)-7-methyl-3-[2-(4-methyl-3-pyridinyl)-2-oxoethyl]-5-[3-methyl-4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for (7S)-7-methyl-3-[2-(4-methyl-3-pyridinyl)-2-oxoethyl]-5-[3-methyl-4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is Cc1ccncc1C(=O)Cc1cnn2c1C(=O)N(c1ccc(C(F)(F)F)c(C)c1)C[C@@H]2C.
What is the InChIKey of (7S)-7-methyl-3-[2-(4-methyl-3-pyridinyl)-2-oxoethyl]-5-[3-methyl-4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is HBCDGKKLJGZZAT-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H21F3N4O2/c1-13-6-7-27-11-18(13)20(31)9-16-10-28-30-15(3)12-29(22(32)21(16)30)17-4-5-19(14(2)8-17)23(24,25)26/h4-8,10-11,15H,9,12H2,1-3H3/t15-/m0/s1.
What are the key properties of (7S)-7-methyl-3-[2-(4-methyl-3-pyridinyl)-2-oxoethyl]-5-[3-methyl-4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
(7S)-7-methyl-3-[2-(4-methyl-3-pyridinyl)-2-oxoethyl]-5-[3-methyl-4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 442.44 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-methyl-3-[2-(4-methyl-3-pyridinyl)-2-oxoethyl]-5-[3-methyl-4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 157464013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).